N-(3,5-dimethylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
N-(3,5-dimethylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea
Compound characteristics
| Compound ID: | C301-8726 |
| Compound Name: | N-(3,5-dimethylphenyl)-N'-{2-[([1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]phenyl}urea |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cc1cc(C)cc(c1)NC(Nc1ccccc1Sc1ccc2nncn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0517 |
| logD: | 4.0517 |
| logSw: | -4.0277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.014 |
| InChI Key: | QIHLUDNUJPVSQH-UHFFFAOYSA-N |